N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide

C20H23N3O3 — CID 167847264

IUPACN-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(Cc1cc(C2CC2)on1)NCc1ccc(CNC(=O)C2CC2)cc1
InChIInChI=1S/C20H23N3O3/c24-19(10-17-9-18(26-23-17)15-5-6-15)21-11-13-1-3-14(4-2-13)12-22-20(25)16-7-8-16/h1-4,9,15-16H,5-8,10-12H2,(H,21,24)(H,22,25)
InChIKeyGBCAIIWWTJOTIX-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.44
Rot. Bonds8

About N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide

N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 167847264) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID167847264
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(Cc1cc(C2CC2)on1)NCc1ccc(CNC(=O)C2CC2)cc1
InChIInChI=1S/C20H23N3O3/c24-19(10-17-9-18(26-23-17)15-5-6-15)21-11-13-1-3-14(4-2-13)12-22-20(25)16-7-8-16/h1-4,9,15-16H,5-8,10-12H2,(H,21,24)(H,22,25)
InChIKeyGBCAIIWWTJOTIX-UHFFFAOYSA-N
XLogP2.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 1482045
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 5308322
N-(3,4-difluorobenzyl)-3-{1-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16187291
2-(5-phenyl-1,2-oxazol-3-yl)-N-propylacetamide
CID 16878272
2-(5-phenyl-1,2-oxazol-3-yl)-N-propan-2-ylacetamide
CID 16878274
N-phenyl-2-(5-phenylisoxazol-3-yl)acetamide
CID 16878309
N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 54577605
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide
CID 8622910
3-{1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-piperidinyl}-N-(2-fluorobenzyl)propanamide
CID 16192257
2-(5-(4-fluorophenyl)isoxazol-3-yl)-N-(1-phenylethyl)acetamide
CID 16878788
3-(3,5-dimethyl-4-isoxazolyl)-N-[1-(4-isobutylbenzyl)-3-piperidinyl]propanamide
CID 24792016

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide (CID 167847264) is N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide is O=C(Cc1cc(C2CC2)on1)NCc1ccc(CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is GBCAIIWWTJOTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(10-17-9-18(26-23-17)15-5-6-15)21-11-13-1-3-14(4-2-13)12-22-20(25)16-7-8-16/h1-4,9,15-16H,5-8,10-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide?
N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 167847264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).