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

C23H23N3O4 — CID 164639190

IUPAC(2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)Nc2onc(C)c2-c2ccccc2)cc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C23H23N3O4/c1-14-10-11-17(13-18(14)24-22(28)19-9-6-12-29-19)21(27)25-23-20(15(2)26-30-23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKeyMESCCRLWIQFQJB-IBGZPJMESA-N
MW405.45 g/mol
LogP4.33
Rot. Bonds5

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

(2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 164639190) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID164639190
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)Nc2onc(C)c2-c2ccccc2)cc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C23H23N3O4/c1-14-10-11-17(13-18(14)24-22(28)19-9-6-12-29-19)21(27)25-23-20(15(2)26-30-23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1
InChIKeyMESCCRLWIQFQJB-IBGZPJMESA-N
XLogP4.33
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 164639190) is (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide is Cc1ccc(C(=O)Nc2onc(C)c2-c2ccccc2)cc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is MESCCRLWIQFQJB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-10-11-17(13-18(14)24-22(28)19-9-6-12-29-19)21(27)25-23-20(15(2)26-30-23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 164639190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).