N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C18H24N4O2 — CID 124893332

IUPACN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)no2)cnn1C
InChIInChI=1S/C18H24N4O2/c1-10(14-7-12-4-5-13(14)6-12)20-18(23)16-8-17(24-21-16)15-9-19-22(3)11(15)2/h8-10,12-14H,4-7H2,1-3H3,(H,20,23)/t10-,12-,13-,14-/m0/s1
InChIKeyGCQFINUEUQXYHI-PYJNHQTQSA-N
MW328.42 g/mol
LogP2.94
Rot. Bonds4

About N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 124893332) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID124893332
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)no2)cnn1C
InChIInChI=1S/C18H24N4O2/c1-10(14-7-12-4-5-13(14)6-12)20-18(23)16-8-17(24-21-16)15-9-19-22(3)11(15)2/h8-10,12-14H,4-7H2,1-3H3,(H,20,23)/t10-,12-,13-,14-/m0/s1
InChIKeyGCQFINUEUQXYHI-PYJNHQTQSA-N
XLogP2.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 124893849
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 129377025
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 19582703
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 98272059
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 51596139
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 98271656
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98331341
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 163316177

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 124893332) is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is Cc1c(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)no2)cnn1C.
What is the InChIKey of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is GCQFINUEUQXYHI-PYJNHQTQSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-10(14-7-12-4-5-13(14)6-12)20-18(23)16-8-17(24-21-16)15-9-19-22(3)11(15)2/h8-10,12-14H,4-7H2,1-3H3,(H,20,23)/t10-,12-,13-,14-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124893332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).