N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline

C14H16N4O — CID 22493372

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline
SMILESCc1ncc(-c2ccccc2NCC2=NCCN2)o1
InChIInChI=1S/C14H16N4O/c1-10-17-8-13(19-10)11-4-2-3-5-12(11)18-9-14-15-6-7-16-14/h2-5,8,18H,6-7,9H2,1H3,(H,15,16)
InChIKeyVSSYIFVXYPNECD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline (PubChem CID 22493372) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline
PubChem CID22493372
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline
SMILESCc1ncc(-c2ccccc2NCC2=NCCN2)o1
InChIInChI=1S/C14H16N4O/c1-10-17-8-13(19-10)11-4-2-3-5-12(11)18-9-14-15-6-7-16-14/h2-5,8,18H,6-7,9H2,1H3,(H,15,16)
InChIKeyVSSYIFVXYPNECD-UHFFFAOYSA-N
XLogP2.06
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[3-[4-[2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10526831
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline
CID 22493352
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-5-yl)aniline
CID 9794803
1-(5-(2-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110631
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
CID 22493269
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392
N-(2-aminophenyl)-6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]hexanamide
CID 60207641
2-(1,3-Oxazol-2-yl)aniline
CID 12371740
2-(1,3-Oxazol-5-yl)aniline
CID 7162068
N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide
CID 23428033
2-Oxazolemethanamine, N-methyl-5-phenyl-, monohydrochloride
CID 3049266

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline (CID 22493372) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline is Cc1ncc(-c2ccccc2NCC2=NCCN2)o1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline?
The InChIKey is VSSYIFVXYPNECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-17-8-13(19-10)11-4-2-3-5-12(11)18-9-14-15-6-7-16-14/h2-5,8,18H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline has a molecular weight of 256.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 22493372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).