2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine

C26H27N5O2 — CID 139973726

IUPAC2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine
SMILESCc1ncc2c(n1)CCCCN2Nc1cccc(OCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C26H27N5O2/c1-18-24(29-26(33-18)20-9-4-3-5-10-20)17-32-22-12-8-11-21(15-22)30-31-14-7-6-13-23-25(31)16-27-19(2)28-23/h3-5,8-12,15-16,30H,6-7,13-14,17H2,1-2H3
InChIKeySNRMAPXIZHMWBX-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.50
Rot. Bonds6

About 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine

2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine (PubChem CID 139973726) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine
PubChem CID139973726
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine
SMILESCc1ncc2c(n1)CCCCN2Nc1cccc(OCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C26H27N5O2/c1-18-24(29-26(33-18)20-9-4-3-5-10-20)17-32-22-12-8-11-21(15-22)30-31-14-7-6-13-23-25(31)16-27-19(2)28-23/h3-5,8-12,15-16,30H,6-7,13-14,17H2,1-2H3
InChIKeySNRMAPXIZHMWBX-UHFFFAOYSA-N
XLogP5.50
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-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 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine?
The IUPAC name of 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine (CID 139973726) is 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine.
What is the SMILES notation for 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine?
The canonical SMILES for 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine is Cc1ncc2c(n1)CCCCN2Nc1cccc(OCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine?
The InChIKey is SNRMAPXIZHMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-24(29-26(33-18)20-9-4-3-5-10-20)17-32-22-12-8-11-21(15-22)30-31-14-7-6-13-23-25(31)16-27-19(2)28-23/h3-5,8-12,15-16,30H,6-7,13-14,17H2,1-2H3.
What are the key properties of 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine?
2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine has a molecular weight of 441.54 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine is sourced from PubChem (CID 139973726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).