2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C18H25N5O — CID 139000453

IUPAC2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCCN(c3ccnc(C4CC4)n3)CC2)oc1C
InChIInChI=1S/C18H25N5O/c1-13-14(2)24-17(20-13)12-22-8-3-9-23(11-10-22)16-6-7-19-18(21-16)15-4-5-15/h6-7,15H,3-5,8-12H2,1-2H3
InChIKeyINDQLAJFMFDKRS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.67
Rot. Bonds4

About 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 139000453) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID139000453
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCCN(c3ccnc(C4CC4)n3)CC2)oc1C
InChIInChI=1S/C18H25N5O/c1-13-14(2)24-17(20-13)12-22-8-3-9-23(11-10-22)16-6-7-19-18(21-16)15-4-5-15/h6-7,15H,3-5,8-12H2,1-2H3
InChIKeyINDQLAJFMFDKRS-UHFFFAOYSA-N
XLogP2.67
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 146139249
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 47541076
2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 133339988
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 133298683
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 154750628
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
CID 133309903
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 171704070

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 139000453) is 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCCN(c3ccnc(C4CC4)n3)CC2)oc1C.
What is the InChIKey of 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is INDQLAJFMFDKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-14(2)24-17(20-13)12-22-8-3-9-23(11-10-22)16-6-7-19-18(21-16)15-4-5-15/h6-7,15H,3-5,8-12H2,1-2H3.
What are the key properties of 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 327.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 139000453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).