N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide

C24H25N3O4 — CID 45165679

IUPACN-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccccc3NC(=O)C3CCCO3)oc2C)c1
InChIInChI=1S/C24H25N3O4/c1-15-7-5-8-17(13-15)22(28)25-14-20-16(2)31-24(27-20)18-9-3-4-10-19(18)26-23(29)21-11-6-12-30-21/h3-5,7-10,13,21H,6,11-12,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFZIFGERSZABFOA-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.01
Rot. Bonds6

About N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide

N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide (PubChem CID 45165679) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
PubChem CID45165679
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccccc3NC(=O)C3CCCO3)oc2C)c1
InChIInChI=1S/C24H25N3O4/c1-15-7-5-8-17(13-15)22(28)25-14-20-16(2)31-24(27-20)18-9-3-4-10-19(18)26-23(29)21-11-6-12-30-21/h3-5,7-10,13,21H,6,11-12,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFZIFGERSZABFOA-UHFFFAOYSA-N
XLogP4.01
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 42162249
3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide
CID 42397912
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
CID 118755607
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide (CID 45165679) is N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide is Cc1cccc(C(=O)NCc2nc(-c3ccccc3NC(=O)C3CCCO3)oc2C)c1.
What is the InChIKey of N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is FZIFGERSZABFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-7-5-8-17(13-15)22(28)25-14-20-16(2)31-24(27-20)18-9-3-4-10-19(18)26-23(29)21-11-6-12-30-21/h3-5,7-10,13,21H,6,11-12,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 45165679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).