(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol

C18H17ClN2O2 — CID 99621232

IUPAC(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol
SMILESCc1cnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C18H17ClN2O2/c1-12-10-21-17(23-12)11-20-16-8-7-14(19)9-15(16)18(22)13-5-3-2-4-6-13/h2-10,18,20,22H,11H2,1H3/t18-/m0/s1
InChIKeyLDLYLLBMVHRXPM-SFHVURJKSA-N
MW328.80 g/mol
LogP4.33
Rot. Bonds5

About (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol

(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol (PubChem CID 99621232) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol
PubChem CID99621232
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol
SMILESCc1cnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C18H17ClN2O2/c1-12-10-21-17(23-12)11-20-16-8-7-14(19)9-15(16)18(22)13-5-3-2-4-6-13/h2-10,18,20,22H,11H2,1H3/t18-/m0/s1
InChIKeyLDLYLLBMVHRXPM-SFHVURJKSA-N
XLogP4.33
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol?
The IUPAC name of (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol (CID 99621232) is (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol.
What is the SMILES notation for (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol?
The canonical SMILES for (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol is Cc1cnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)o1.
What is the InChIKey of (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol?
The InChIKey is LDLYLLBMVHRXPM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-10-21-17(23-12)11-20-16-8-7-14(19)9-15(16)18(22)13-5-3-2-4-6-13/h2-10,18,20,22H,11H2,1H3/t18-/m0/s1.
What are the key properties of (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol?
(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol has a molecular weight of 328.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol is sourced from PubChem (CID 99621232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).