N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide

C20H21N3O3S — CID 95221527

IUPACN-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2cccnc2)no1
InChIInChI=1S/C20H21N3O3S/c1-14(15-7-6-10-21-12-15)23(2)20(24)17-11-16(26-22-17)13-25-18-8-4-5-9-19(18)27-3/h4-12,14H,13H2,1-3H3/t14-/m1/s1
InChIKeyMSCMPPLJSQQPAO-CQSZACIVSA-N
MW383.47 g/mol
LogP4.20
Rot. Bonds7

About N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide

N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95221527) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
PubChem CID95221527
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2cccnc2)no1
InChIInChI=1S/C20H21N3O3S/c1-14(15-7-6-10-21-12-15)23(2)20(24)17-11-16(26-22-17)13-25-18-8-4-5-9-19(18)27-3/h4-12,14H,13H2,1-3H3/t14-/m1/s1
InChIKeyMSCMPPLJSQQPAO-CQSZACIVSA-N
XLogP4.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 95211220
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24792134
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 45228784
5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42192580
5-[(4-acetylphenoxy)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 45174646
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737702

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide (CID 95221527) is N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide is CSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2cccnc2)no1.
What is the InChIKey of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MSCMPPLJSQQPAO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(15-7-6-10-21-12-15)23(2)20(24)17-11-16(26-22-17)13-25-18-8-4-5-9-19(18)27-3/h4-12,14H,13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).