N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide

C29H29N3O5 — CID 93202273

IUPACN-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C29H29N3O5/c1-20-7-5-11-23(17-20)27(33)30-24-12-6-10-22(18-24)26-25(28(34)31-13-15-36-16-14-31)32(29(35)37-26)19-21-8-3-2-4-9-21/h2-12,17-18,25-26H,13-16,19H2,1H3,(H,30,33)/t25-,26+/m1/s1
InChIKeyWPZBNYDTCFGURC-FTJBHMTQSA-N
MW499.57 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide

N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide (PubChem CID 93202273) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide
PubChem CID93202273
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC NameN-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C29H29N3O5/c1-20-7-5-11-23(17-20)27(33)30-24-12-6-10-22(18-24)26-25(28(34)31-13-15-36-16-14-31)32(29(35)37-26)19-21-8-3-2-4-9-21/h2-12,17-18,25-26H,13-16,19H2,1H3,(H,30,33)/t25-,26+/m1/s1
InChIKeyWPZBNYDTCFGURC-FTJBHMTQSA-N
XLogP4.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide (CID 93202273) is N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide?
The InChIKey is WPZBNYDTCFGURC-FTJBHMTQSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-20-7-5-11-23(17-20)27(33)30-24-12-6-10-22(18-24)26-25(28(34)31-13-15-36-16-14-31)32(29(35)37-26)19-21-8-3-2-4-9-21/h2-12,17-18,25-26H,13-16,19H2,1H3,(H,30,33)/t25-,26+/m1/s1.
What are the key properties of N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide?
N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide has a molecular weight of 499.57 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 93202273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).