2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide

C21H21ClN4O4 — CID 67952381

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NC[C@@H](C)O)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C21H21ClN4O4/c1-11-9-23-17(25-13(3)28)8-15(11)21-26-18(20(29)24-10-12(2)27)19(30-21)14-6-4-5-7-16(14)22/h4-9,12,27H,10H2,1-3H3,(H,24,29)(H,23,25,28)/t12-/m1/s1
InChIKeyBSTKDDAMSNRZJG-GFCCVEGCSA-N
MW428.88 g/mol
LogP3.43
Rot. Bonds6

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide (PubChem CID 67952381) has the molecular formula C21H21ClN4O4 and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide
PubChem CID67952381
Molecular FormulaC21H21ClN4O4
Molecular Weight428.88 g/mol
Exact Mass428.13
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NC[C@@H](C)O)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C21H21ClN4O4/c1-11-9-23-17(25-13(3)28)8-15(11)21-26-18(20(29)24-10-12(2)27)19(30-21)14-6-4-5-7-16(14)22/h4-9,12,27H,10H2,1-3H3,(H,24,29)(H,23,25,28)/t12-/m1/s1
InChIKeyBSTKDDAMSNRZJG-GFCCVEGCSA-N
XLogP3.43
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 67776016
N-[4-[5-(2-chlorophenyl)-4-[[oxido(propan-2-yl)amino]methyl]-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 163798895
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
CID 67776725
5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 159026410
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide
CID 66749495
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide;2-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-methylbutanamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-phenylpropan-2-one
CID 158307584
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 43418256
5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide
CID 75767511
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 141187748
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 67776306

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide (CID 67952381) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide is CC(=O)Nc1cc(-c2nc(C(=O)NC[C@@H](C)O)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BSTKDDAMSNRZJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21ClN4O4/c1-11-9-23-17(25-13(3)28)8-15(11)21-26-18(20(29)24-10-12(2)27)19(30-21)14-6-4-5-7-16(14)22/h4-9,12,27H,10H2,1-3H3,(H,24,29)(H,23,25,28)/t12-/m1/s1.
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67952381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).