5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide

C20H27N3O3 — CID 92724963

IUPAC5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N[C@H](C)CCc2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-15(8-9-17-6-4-3-5-7-17)21-20(24)19-18(16(2)26-22-19)14-23-10-12-25-13-11-23/h3-7,15H,8-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyFCYOOKPGMPPAKO-OAHLLOKOSA-N
MW357.45 g/mol
LogP2.57
Rot. Bonds7

About 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 92724963) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID92724963
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N[C@H](C)CCc2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-15(8-9-17-6-4-3-5-7-17)21-20(24)19-18(16(2)26-22-19)14-23-10-12-25-13-11-23/h3-7,15H,8-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyFCYOOKPGMPPAKO-OAHLLOKOSA-N
XLogP2.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
N-[(4-ethoxyphenyl)methyl]-5-methyl-4-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341215
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31787549
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443022
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171777
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490520
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide (CID 92724963) is 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)N[C@H](C)CCc2ccccc2)c1CN1CCOCC1.
What is the InChIKey of 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FCYOOKPGMPPAKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(8-9-17-6-4-3-5-7-17)21-20(24)19-18(16(2)26-22-19)14-23-10-12-25-13-11-23/h3-7,15H,8-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92724963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).