2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine

C10H14N4O — CID 83833377

IUPAC2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine
SMILESCc1noc2ccnc(NC(C)CN)c12
InChIInChI=1S/C10H14N4O/c1-6(5-11)13-10-9-7(2)14-15-8(9)3-4-12-10/h3-4,6H,5,11H2,1-2H3,(H,12,13)
InChIKeyXJNMVRZJRQIWIC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.29
Rot. Bonds3

About 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine

2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine (PubChem CID 83833377) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine
PubChem CID83833377
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine
SMILESCc1noc2ccnc(NC(C)CN)c12
InChIInChI=1S/C10H14N4O/c1-6(5-11)13-10-9-7(2)14-15-8(9)3-4-12-10/h3-4,6H,5,11H2,1-2H3,(H,12,13)
InChIKeyXJNMVRZJRQIWIC-UHFFFAOYSA-N
XLogP1.29
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine
CID 69197021
5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
CID 166317082
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine
CID 83843632
2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63730686
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297
2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 83830096
N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
CID 83830093
N-[1-(5-methylthiophen-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103703296
N-[1-(4-methylphenoxy)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103911732
(5-chloro-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110095
2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid
CID 83838113

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine (CID 83833377) is 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine is Cc1noc2ccnc(NC(C)CN)c12.
What is the InChIKey of 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine?
The InChIKey is XJNMVRZJRQIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(5-11)13-10-9-7(2)14-15-8(9)3-4-12-10/h3-4,6H,5,11H2,1-2H3,(H,12,13).
What are the key properties of 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine?
2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine has a molecular weight of 206.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 83833377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).