N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide

C18H20ClN3O2S — CID 8834206

IUPACN-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-11-10-25-18(20-11)22(15-6-4-14(19)5-7-15)17(23)9-8-16-12(2)21-24-13(16)3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyHIWVRAIHWKVYFG-LLVKDONJSA-N
MW377.90 g/mol
LogP4.40
Rot. Bonds4

About N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide

N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide (PubChem CID 8834206) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
PubChem CID8834206
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-11-10-25-18(20-11)22(15-6-4-14(19)5-7-15)17(23)9-8-16-12(2)21-24-13(16)3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyHIWVRAIHWKVYFG-LLVKDONJSA-N
XLogP4.40
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
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CID 2497344
N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
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(3S)-3-acetamido-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41130564
N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750367
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
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2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 47071392
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide (CID 8834206) is N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide is Cc1noc(C)c1CCC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide?
The InChIKey is HIWVRAIHWKVYFG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-11-10-25-18(20-11)22(15-6-4-14(19)5-7-15)17(23)9-8-16-12(2)21-24-13(16)3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide?
N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide has a molecular weight of 377.90 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 8834206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).