(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine

C10H8Cl2N2O — CID 118021321

IUPAC(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine
SMILESN[C@H](c1ccc(Cl)c(Cl)c1)c1cnco1
InChIInChI=1S/C10H8Cl2N2O/c11-7-2-1-6(3-8(7)12)10(13)9-4-14-5-15-9/h1-5,10H,13H2/t10-/m1/s1
InChIKeyKIVLIWIKLWHRJA-SNVBAGLBSA-N
MW243.09 g/mol
LogP3.03
Rot. Bonds2

About (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine

(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine (PubChem CID 118021321) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine
PubChem CID118021321
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine
SMILESN[C@H](c1ccc(Cl)c(Cl)c1)c1cnco1
InChIInChI=1S/C10H8Cl2N2O/c11-7-2-1-6(3-8(7)12)10(13)9-4-14-5-15-9/h1-5,10H,13H2/t10-/m1/s1
InChIKeyKIVLIWIKLWHRJA-SNVBAGLBSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384511
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole
CID 155087016
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
CID 107356865
1,2-dichloro-4-[chloro-[chloro-(3,4-dichlorophenyl)methyl]sulfanylmethyl]benzene
CID 159143973
(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082276

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine?
The IUPAC name of (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine (CID 118021321) is (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine is N[C@H](c1ccc(Cl)c(Cl)c1)c1cnco1.
What is the InChIKey of (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine?
The InChIKey is KIVLIWIKLWHRJA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-7-2-1-6(3-8(7)12)10(13)9-4-14-5-15-9/h1-5,10H,13H2/t10-/m1/s1.
What are the key properties of (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine?
(R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine has a molecular weight of 243.09 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 118021321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).