N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C14H14ClFN2O3 — CID 97004815

IUPACN-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)no1
InChIInChI=1S/C14H14ClFN2O3/c1-7-6-11(18-21-7)14(20)17-8(2)13(19)12-9(15)4-3-5-10(12)16/h3-6,8,13,19H,1-2H3,(H,17,20)/t8-,13-/m0/s1
InChIKeyFFBAHHBVKQNVMQ-SDBXPKJASA-N
MW312.73 g/mol
LogP2.63
Rot. Bonds4

About N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 97004815) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID97004815
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC NameN-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)no1
InChIInChI=1S/C14H14ClFN2O3/c1-7-6-11(18-21-7)14(20)17-8(2)13(19)12-9(15)4-3-5-10(12)16/h3-6,8,13,19H,1-2H3,(H,17,20)/t8-,13-/m0/s1
InChIKeyFFBAHHBVKQNVMQ-SDBXPKJASA-N
XLogP2.63
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
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N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
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4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 97004815) is N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)no1.
What is the InChIKey of N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FFBAHHBVKQNVMQ-SDBXPKJASA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c1-7-6-11(18-21-7)14(20)17-8(2)13(19)12-9(15)4-3-5-10(12)16/h3-6,8,13,19H,1-2H3,(H,17,20)/t8-,13-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 312.73 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).