N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H23FN2O3 — CID 97065846

IUPACN-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C19H23FN2O3/c1-11(21-19(23)9-16-12(2)22-25-13(16)3)15-6-7-18(17(20)8-15)24-10-14-4-5-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,21,23)/t11-/m1/s1
InChIKeyWNFYWVCVUZPORV-LLVKDONJSA-N
MW346.40 g/mol
LogP3.64
Rot. Bonds7

About N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 97065846) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID97065846
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C19H23FN2O3/c1-11(21-19(23)9-16-12(2)22-25-13(16)3)15-6-7-18(17(20)8-15)24-10-14-4-5-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,21,23)/t11-/m1/s1
InChIKeyWNFYWVCVUZPORV-LLVKDONJSA-N
XLogP3.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008758
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide
CID 96548771
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 56871484
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638097
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 71852475
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71919678
2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid
CID 136556585
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638103
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774
2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide
CID 119163719
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 95616102

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 97065846) is N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is WNFYWVCVUZPORV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-11(21-19(23)9-16-12(2)22-25-13(16)3)15-6-7-18(17(20)8-15)24-10-14-4-5-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 346.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 97065846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).