(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

C12H13ClN2O — CID 59323783

IUPAC(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(Cl)cc2C2CC2)CO1
InChIInChI=1S/C12H13ClN2O/c13-8-3-4-9(10(5-8)7-1-2-7)11-6-16-12(14)15-11/h3-5,7,11H,1-2,6H2,(H2,14,15)/t11-/m1/s1
InChIKeyOHEHXHSMXPWYQM-LLVKDONJSA-N
MW236.70 g/mol
LogP2.60
Rot. Bonds2

About (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323783) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323783
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(Cl)cc2C2CC2)CO1
InChIInChI=1S/C12H13ClN2O/c13-8-3-4-9(10(5-8)7-1-2-7)11-6-16-12(14)15-11/h3-5,7,11H,1-2,6H2,(H2,14,15)/t11-/m1/s1
InChIKeyOHEHXHSMXPWYQM-LLVKDONJSA-N
XLogP2.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323783) is (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccc(Cl)cc2C2CC2)CO1.
What is the InChIKey of (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is OHEHXHSMXPWYQM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-8-3-4-9(10(5-8)7-1-2-7)11-6-16-12(14)15-11/h3-5,7,11H,1-2,6H2,(H2,14,15)/t11-/m1/s1.
What are the key properties of (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 236.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).