N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline

C27H32N4O — CID 155063258

IUPACN-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
SMILESCn1nc(C2CC2)cc1C12CCC(CNc3cccc(-c4cc(C5CC5)no4)c3)(CC1)C2
InChIInChI=1S/C27H32N4O/c1-31-25(15-22(29-31)18-5-6-18)27-11-9-26(16-27,10-12-27)17-28-21-4-2-3-20(13-21)24-14-23(30-32-24)19-7-8-19/h2-4,13-15,18-19,28H,5-12,16-17H2,1H3
InChIKeyCPIBHPAHASJKKO-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.14
Rot. Bonds7

About N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline

N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline (PubChem CID 155063258) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
PubChem CID155063258
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
SMILESCn1nc(C2CC2)cc1C12CCC(CNc3cccc(-c4cc(C5CC5)no4)c3)(CC1)C2
InChIInChI=1S/C27H32N4O/c1-31-25(15-22(29-31)18-5-6-18)27-11-9-26(16-27,10-12-27)17-28-21-4-2-3-20(13-21)24-14-23(30-32-24)19-7-8-19/h2-4,13-15,18-19,28H,5-12,16-17H2,1H3
InChIKeyCPIBHPAHASJKKO-UHFFFAOYSA-N
XLogP6.14
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline with MolForge

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Related Compounds

N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
CID 154683602
4-bromo-N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]pyridin-2-amine
CID 155060471
N-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
CID 167077782
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(5-cyclopropyl-1,2-oxazol-3-yl)aniline
CID 154683618
3-(3-cyclopropyl-1,2-oxazol-5-yl)-N-[2-[4-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-bicyclo[2.2.2]octanyl]ethyl]aniline
CID 167077870
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683351
N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060593
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(2-ethoxy-4-pyridinyl)aniline
CID 154683223
N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methanesulfonamido)phenyl]phenyl]acetamide
CID 171474154
3-bromo-N-[[4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683346
N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)pentyl]-3-(4-methylsulfanylphenyl)aniline;ethene
CID 154683851
3-[1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]-N-methylaniline
CID 138056415

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline?
The IUPAC name of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline (CID 155063258) is N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline.
What is the SMILES notation for N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline?
The canonical SMILES for N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline is Cn1nc(C2CC2)cc1C12CCC(CNc3cccc(-c4cc(C5CC5)no4)c3)(CC1)C2.
What is the InChIKey of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline?
The InChIKey is CPIBHPAHASJKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-31-25(15-22(29-31)18-5-6-18)27-11-9-26(16-27,10-12-27)17-28-21-4-2-3-20(13-21)24-14-23(30-32-24)19-7-8-19/h2-4,13-15,18-19,28H,5-12,16-17H2,1H3.
What are the key properties of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline?
N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline has a molecular weight of 428.58 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.1]heptanyl]methyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline is sourced from PubChem (CID 155063258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).