N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide

C14H15N3O2 — CID 82371377

IUPACN-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide
SMILESNCc1cc(-c2ccc(NC(=O)C3CC3)cc2)no1
InChIInChI=1S/C14H15N3O2/c15-8-12-7-13(17-19-12)9-3-5-11(6-4-9)16-14(18)10-1-2-10/h3-7,10H,1-2,8,15H2,(H,16,18)
InChIKeyAIHXVMBMQZOSSI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds4

About N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide

N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide (PubChem CID 82371377) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide
PubChem CID82371377
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide
SMILESNCc1cc(-c2ccc(NC(=O)C3CC3)cc2)no1
InChIInChI=1S/C14H15N3O2/c15-8-12-7-13(17-19-12)9-3-5-11(6-4-9)16-14(18)10-1-2-10/h3-7,10H,1-2,8,15H2,(H,16,18)
InChIKeyAIHXVMBMQZOSSI-UHFFFAOYSA-N
XLogP2.15
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
CID 82368563
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide (CID 82371377) is N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide is NCc1cc(-c2ccc(NC(=O)C3CC3)cc2)no1.
What is the InChIKey of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is AIHXVMBMQZOSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-8-12-7-13(17-19-12)9-3-5-11(6-4-9)16-14(18)10-1-2-10/h3-7,10H,1-2,8,15H2,(H,16,18).
What are the key properties of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide?
N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82371377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).