2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine

C12H21N3O — CID 106345352

IUPAC2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCc1cc(C2CC2)on1
InChIInChI=1S/C12H21N3O/c1-8(2)11(6-13)14-7-10-5-12(16-15-10)9-3-4-9/h5,8-9,11,14H,3-4,6-7,13H2,1-2H3
InChIKeyMQNARSDISAXUBC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.62
Rot. Bonds6

About 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine

2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine (PubChem CID 106345352) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine
PubChem CID106345352
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCc1cc(C2CC2)on1
InChIInChI=1S/C12H21N3O/c1-8(2)11(6-13)14-7-10-5-12(16-15-10)9-3-4-9/h5,8-9,11,14H,3-4,6-7,13H2,1-2H3
InChIKeyMQNARSDISAXUBC-UHFFFAOYSA-N
XLogP1.62
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((5-cyclopropylisoxazol-3-yl)methyl)adamantan-1-amine
CID 89615581
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
5-Methyl-3-(pyrrolidin-2-yl)-1,2-oxazole
CID 25220780
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309302
5-(Propan-2-YL)-N-propyl-1,2-oxazole-3-carboxamide
CID 6621383
5-[(5-Cyclopropyl-1,2-oxazol-3-yl)methylamino]adamantan-2-one
CID 137633495
(1E)-N-allyloxy-2-[(5-tert-butylisoxazol-3-yl)methylamino]-2-oxo-acetimidoyl cyanide
CID 9575805
N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 71609760
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 89615573

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine (CID 106345352) is 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine is CC(C)C(CN)NCc1cc(C2CC2)on1.
What is the InChIKey of 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine?
The InChIKey is MQNARSDISAXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11(6-13)14-7-10-5-12(16-15-10)9-3-4-9/h5,8-9,11,14H,3-4,6-7,13H2,1-2H3.
What are the key properties of 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine?
2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106345352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).