(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine

C9H13ClN2O — CID 106437650

IUPAC(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1cc(C)on1
InChIInChI=1S/C9H13ClN2O/c1-7(4-10)5-11-6-9-3-8(2)13-12-9/h3-4,11H,5-6H2,1-2H3/b7-4-
InChIKeyRSOCAWGCLGIJHF-DAXSKMNVSA-N
MW200.67 g/mol
LogP2.22
Rot. Bonds4

About (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine

(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 106437650) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID106437650
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1cc(C)on1
InChIInChI=1S/C9H13ClN2O/c1-7(4-10)5-11-6-9-3-8(2)13-12-9/h3-4,11H,5-6H2,1-2H3/b7-4-
InChIKeyRSOCAWGCLGIJHF-DAXSKMNVSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine with MolForge

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Related Compounds

(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243710
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
(E)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243708
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
1-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210844
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62340417
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
methyl (E)-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]prop-2-enoate
CID 103243724

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine (CID 106437650) is (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine is C/C(=C/Cl)CNCc1cc(C)on1.
What is the InChIKey of (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is RSOCAWGCLGIJHF-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7(4-10)5-11-6-9-3-8(2)13-12-9/h3-4,11H,5-6H2,1-2H3/b7-4-.
What are the key properties of (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 200.67 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106437650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).