3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine

C18H19N7O3 — CID 135129317

IUPAC3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
SMILESCc1cc(Nc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)on1
InChIInChI=1S/C18H19N7O3/c1-11-7-15(28-23-11)21-18-20-14-3-5-25(12-8-19-24(2)9-12)16(14)17(22-18)27-13-4-6-26-10-13/h3,5,7-9,13H,4,6,10H2,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyCDUNFHMNFYLZCG-ZDUSSCGKSA-N
MW381.40 g/mol
LogP2.36
Rot. Bonds5

About 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine

3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine (PubChem CID 135129317) has the molecular formula C18H19N7O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
PubChem CID135129317
Molecular FormulaC18H19N7O3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
SMILESCc1cc(Nc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)on1
InChIInChI=1S/C18H19N7O3/c1-11-7-15(28-23-11)21-18-20-14-3-5-25(12-8-19-24(2)9-12)16(14)17(22-18)27-13-4-6-26-10-13/h3,5,7-9,13H,4,6,10H2,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyCDUNFHMNFYLZCG-ZDUSSCGKSA-N
XLogP2.36
TPSA105.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine (CID 135129317) is 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine is Cc1cc(Nc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)on1.
What is the InChIKey of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine?
The InChIKey is CDUNFHMNFYLZCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N7O3/c1-11-7-15(28-23-11)21-18-20-14-3-5-25(12-8-19-24(2)9-12)16(14)17(22-18)27-13-4-6-26-10-13/h3,5,7-9,13H,4,6,10H2,1-2H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine?
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine has a molecular weight of 381.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 135129317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).