4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide

C17H21N3O3 — CID 120932270

IUPAC4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2coc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C17H21N3O3/c18-12-17(6-8-22-9-7-17)16(21)19-10-14-11-23-15(20-14)13-4-2-1-3-5-13/h1-5,11H,6-10,12,18H2,(H,19,21)
InChIKeySEBRAIQRCRQIFS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.71
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide (PubChem CID 120932270) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
PubChem CID120932270
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2coc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C17H21N3O3/c18-12-17(6-8-22-9-7-17)16(21)19-10-14-11-23-15(20-14)13-4-2-1-3-5-13/h1-5,11H,6-10,12,18H2,(H,19,21)
InChIKeySEBRAIQRCRQIFS-UHFFFAOYSA-N
XLogP1.71
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120924757
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
CID 120939430
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
2-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115439687
4-(aminomethyl)-N-[[3-(phenylcarbamoylamino)phenyl]methyl]oxane-4-carboxamide
CID 120930371
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
4-(aminomethyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120938594

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide (CID 120932270) is 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide is NCC1(C(=O)NCc2coc(-c3ccccc3)n2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is SEBRAIQRCRQIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-12-17(6-8-22-9-7-17)16(21)19-10-14-11-23-15(20-14)13-4-2-1-3-5-13/h1-5,11H,6-10,12,18H2,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120932270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).