N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C16H17ClN2O3 — CID 91624378

IUPACN-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCC(O)c1cccc(Cl)c1)c1cc(C2CC2)on1
InChIInChI=1S/C16H17ClN2O3/c17-12-3-1-2-11(8-12)14(20)6-7-18-16(21)13-9-15(22-19-13)10-4-5-10/h1-3,8-10,14,20H,4-7H2,(H,18,21)
InChIKeyCSVRTTWXRAPERT-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.06
Rot. Bonds6

About N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 91624378) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID91624378
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCC(O)c1cccc(Cl)c1)c1cc(C2CC2)on1
InChIInChI=1S/C16H17ClN2O3/c17-12-3-1-2-11(8-12)14(20)6-7-18-16(21)13-9-15(22-19-13)10-4-5-10/h1-3,8-10,14,20H,4-7H2,(H,18,21)
InChIKeyCSVRTTWXRAPERT-UHFFFAOYSA-N
XLogP3.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 60553549
N-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71804264
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 97414306
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 100696828
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 129314817
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5308825
(3S)-3-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 97184877
N-[(3S,4R)-1-(3-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395362

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 91624378) is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NCCC(O)c1cccc(Cl)c1)c1cc(C2CC2)on1.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is CSVRTTWXRAPERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-12-3-1-2-11(8-12)14(20)6-7-18-16(21)13-9-15(22-19-13)10-4-5-10/h1-3,8-10,14,20H,4-7H2,(H,18,21).
What are the key properties of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91624378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).