3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane

C25H32N4O4 — CID 144760280

IUPAC3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane
SMILESC1CCCC1.CC(=O)NCCC(N)=O.CNC(=O)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H12N2O2.C5H10N2O2.C5H10/c1-16-14(18)10-6-8-11(9-7-10)15-17-12-4-2-3-5-13(12)19-15;1-4(8)7-3-2-5(6)9;1-2-4-5-3-1/h2-9H,1H3,(H,16,18);2-3H2,1H3,(H2,6,9)(H,7,8);1-5H2
InChIKeyOBZDKDPGAGABLC-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.80
Rot. Bonds5

About 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane

3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane (PubChem CID 144760280) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane.

Molecular Properties

Compound Name3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane
PubChem CID144760280
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane
SMILESC1CCCC1.CC(=O)NCCC(N)=O.CNC(=O)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H12N2O2.C5H10N2O2.C5H10/c1-16-14(18)10-6-8-11(9-7-10)15-17-12-4-2-3-5-13(12)19-15;1-4(8)7-3-2-5(6)9;1-2-4-5-3-1/h2-9H,1H3,(H,16,18);2-3H2,1H3,(H2,6,9)(H,7,8);1-5H2
InChIKeyOBZDKDPGAGABLC-UHFFFAOYSA-N
XLogP3.80
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;N-(1-hydroxy-2-methylpropan-2-yl)formamide;methylcyclopentane
CID 144627040
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
3-[[4-[[(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropyl]amino]benzoyl]amino]propanoic acid
CID 146236732
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559
3-[[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-methylpropyl]benzoyl]amino]propanoic acid
CID 146236741
N-(2-aminosulfanylphenyl)sulfanyl-4-(1,3-benzoxazol-2-yl)benzamide
CID 143805962
methyl 3-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]propanoate
CID 48764780
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-chlorobenzamide
CID 22777679
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide
CID 22780746

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane?
The IUPAC name of 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane (CID 144760280) is 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane.
What is the SMILES notation for 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane?
The canonical SMILES for 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane is C1CCCC1.CC(=O)NCCC(N)=O.CNC(=O)c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane?
The InChIKey is OBZDKDPGAGABLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.C5H10N2O2.C5H10/c1-16-14(18)10-6-8-11(9-7-10)15-17-12-4-2-3-5-13(12)19-15;1-4(8)7-3-2-5(6)9;1-2-4-5-3-1/h2-9H,1H3,(H,16,18);2-3H2,1H3,(H2,6,9)(H,7,8);1-5H2.
What are the key properties of 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane?
3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane has a molecular weight of 452.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropanamide;4-(1,3-benzoxazol-2-yl)-N-methylbenzamide;cyclopentane is sourced from PubChem (CID 144760280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).