2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile

C7H4N4O — CID 130048004

IUPAC2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESCc1nc2cnc(C#N)nc2o1
InChIInChI=1S/C7H4N4O/c1-4-10-5-3-9-6(2-8)11-7(5)12-4/h3H,1H3
InChIKeyMENRODCPOYTGLO-UHFFFAOYSA-N
MW160.14 g/mol
LogP0.80
Rot. Bonds

About 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile

2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile (PubChem CID 130048004) has the molecular formula C7H4N4O and a molecular weight of 160.14 g/mol. Its IUPAC name is 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
PubChem CID130048004
Molecular FormulaC7H4N4O
Molecular Weight160.14 g/mol
Exact Mass160.04
IUPAC Name2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESCc1nc2cnc(C#N)nc2o1
InChIInChI=1S/C7H4N4O/c1-4-10-5-3-9-6(2-8)11-7(5)12-4/h3H,1H3
InChIKeyMENRODCPOYTGLO-UHFFFAOYSA-N
XLogP0.80
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane
CID 143085645
thiadiazolo[5,4-d]pyrimidine-5-carbonitrile
CID 171378023
1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84655967
2-amino-1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propan-1-ol
CID 84675057
ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine
CID 142292500
6-methyl-[1,3]oxazolo[5,4-c]pyridazine
CID 23392109
5-methoxypyrimidine-2-carbonitrile
CID 3715049
2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
CID 82411697
6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115142851
2-prop-1-ynylpyrimidine-5-carbonitrile
CID 126693035
5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
CID 130352001
[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile
CID 91066411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile (CID 130048004) is 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile is Cc1nc2cnc(C#N)nc2o1.
What is the InChIKey of 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
The InChIKey is MENRODCPOYTGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O/c1-4-10-5-3-9-6(2-8)11-7(5)12-4/h3H,1H3.
What are the key properties of 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 130048004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).