3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide

C16H20ClN3O3 — CID 122159496

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide
SMILESCc1noc(Cl)c1CCC(=O)Nc1cnccc1OC(C)(C)C
InChIInChI=1S/C16H20ClN3O3/c1-10-11(15(17)23-20-10)5-6-14(21)19-12-9-18-8-7-13(12)22-16(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,21)
InChIKeyUPURRNZJGOUZMQ-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.78
Rot. Bonds5

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide (PubChem CID 122159496) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide
PubChem CID122159496
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide
SMILESCc1noc(Cl)c1CCC(=O)Nc1cnccc1OC(C)(C)C
InChIInChI=1S/C16H20ClN3O3/c1-10-11(15(17)23-20-10)5-6-14(21)19-12-9-18-8-7-13(12)22-16(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,21)
InChIKeyUPURRNZJGOUZMQ-UHFFFAOYSA-N
XLogP3.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438931
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide
CID 136536828
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 126787813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
CID 84676768
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95165188
4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide (CID 122159496) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide is Cc1noc(Cl)c1CCC(=O)Nc1cnccc1OC(C)(C)C.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide?
The InChIKey is UPURRNZJGOUZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-10-11(15(17)23-20-10)5-6-14(21)19-12-9-18-8-7-13(12)22-16(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,21).
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide has a molecular weight of 337.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide is sourced from PubChem (CID 122159496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).