2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide

C16H22N4O2 — CID 3796337

IUPAC2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCc2ccc(N)cc2)co1
InChIInChI=1S/C16H22N4O2/c1-2-3-4-13(18)16-20-14(10-22-16)15(21)19-9-11-5-7-12(17)8-6-11/h5-8,10,13H,2-4,9,17-18H2,1H3,(H,19,21)
InChIKeyNGIVVFQCDCGJRL-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.38
Rot. Bonds7

About 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3796337) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3796337
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCc2ccc(N)cc2)co1
InChIInChI=1S/C16H22N4O2/c1-2-3-4-13(18)16-20-14(10-22-16)15(21)19-9-11-5-7-12(17)8-6-11/h5-8,10,13H,2-4,9,17-18H2,1H3,(H,19,21)
InChIKeyNGIVVFQCDCGJRL-UHFFFAOYSA-N
XLogP2.38
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3796337) is 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCc2ccc(N)cc2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NGIVVFQCDCGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-3-4-13(18)16-20-14(10-22-16)15(21)19-9-11-5-7-12(17)8-6-11/h5-8,10,13H,2-4,9,17-18H2,1H3,(H,19,21).
What are the key properties of 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3796337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).