2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide

C16H26N2O5S — CID 59267923

IUPAC2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CC2)no1
InChIInChI=1S/C16H26N2O5S/c1-15(2,10-22-5)12-8-13(18-23-12)17-14(19)16(3,4)24(20,21)9-11-6-7-11/h8,11H,6-7,9-10H2,1-5H3,(H,17,18,19)
InChIKeyFMNHJBIYTPRMIS-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.14
Rot. Bonds8

About 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide

2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide (PubChem CID 59267923) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
PubChem CID59267923
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CC2)no1
InChIInChI=1S/C16H26N2O5S/c1-15(2,10-22-5)12-8-13(18-23-12)17-14(19)16(3,4)24(20,21)9-11-6-7-11/h8,11H,6-7,9-10H2,1-5H3,(H,17,18,19)
InChIKeyFMNHJBIYTPRMIS-UHFFFAOYSA-N
XLogP2.14
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 56603147
N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 56603205
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide
CID 59703978
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-[methylidene-oxo-(4,4,4-trifluorobutyl)-lambda6-sulfanyl]propanamide
CID 89078371
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-oxo-(4,4,4-trifluorobutyl)-lambda6-sulfanyl]prop-2-enamide
CID 89078470
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-(4,4,4-trifluorobutylsulfonyl)prop-2-enamide
CID 89392971
N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfanyl)propanamide
CID 90932244
2-[dihydroxy(4,4,4-trifluorobutyl)-lambda4-sulfanyl]-N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 91346770
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide
CID 91414617
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide
CID 24762212
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide
CID 25003676
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide
CID 25004033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide (CID 59267923) is 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide is COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CC2)no1.
What is the InChIKey of 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
The InChIKey is FMNHJBIYTPRMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-15(2,10-22-5)12-8-13(18-23-12)17-14(19)16(3,4)24(20,21)9-11-6-7-11/h8,11H,6-7,9-10H2,1-5H3,(H,17,18,19).
What are the key properties of 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide has a molecular weight of 358.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 59267923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).