5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole

C17H19ClN2O — CID 167763884

IUPAC5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESClc1cccc(-c2cc(CN3CCC(C4CC4)C3)no2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-3-1-2-13(8-15)17-9-16(19-21-17)11-20-7-6-14(10-20)12-4-5-12/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyFVNLJPCWTYTQDU-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.23
Rot. Bonds4

About 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole

5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole (PubChem CID 167763884) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole
PubChem CID167763884
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESClc1cccc(-c2cc(CN3CCC(C4CC4)C3)no2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-3-1-2-13(8-15)17-9-16(19-21-17)11-20-7-6-14(10-20)12-4-5-12/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyFVNLJPCWTYTQDU-UHFFFAOYSA-N
XLogP4.23
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol
CID 175876839
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 104977337
5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 56554888
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
CID 119924998
N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 122139522
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110888423
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole (CID 167763884) is 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole is Clc1cccc(-c2cc(CN3CCC(C4CC4)C3)no2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is FVNLJPCWTYTQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-3-1-2-13(8-15)17-9-16(19-21-17)11-20-7-6-14(10-20)12-4-5-12/h1-3,8-9,12,14H,4-7,10-11H2.
What are the key properties of 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole?
5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 302.80 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 167763884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).