2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine

C12H15ClN2O — CID 134892779

IUPAC2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine
SMILESCC(C)NC1COC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C12H15ClN2O/c1-8(2)14-11-7-16-12(15-11)9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3
InChIKeyDLQGFVSBQPMBLB-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.44
Rot. Bonds3

About 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine

2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine (PubChem CID 134892779) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine
PubChem CID134892779
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine
SMILESCC(C)NC1COC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C12H15ClN2O/c1-8(2)14-11-7-16-12(15-11)9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3
InChIKeyDLQGFVSBQPMBLB-UHFFFAOYSA-N
XLogP2.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060985
benzyl (4S)-2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201175
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
CID 115060967
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
2-(3-chlorophenyl)-4H-1,3,4-oxadiazin-5-one
CID 13365861
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121095485
(4S,4aR,8aR)-2-(3-chlorophenyl)-4-phenyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine
CID 15717131
5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
CID 139270190
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488951

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine (CID 134892779) is 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine is CC(C)NC1COC(c2cccc(Cl)c2)=N1.
What is the InChIKey of 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine?
The InChIKey is DLQGFVSBQPMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(2)14-11-7-16-12(15-11)9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine?
2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine has a molecular weight of 238.72 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine is sourced from PubChem (CID 134892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).