4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine

C24H29N5O2 — CID 134809359

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)c2c1CCO2
InChIInChI=1S/C24H29N5O2/c1-16-22(17(2)31-27-16)21-14-25-24(23-20(21)8-13-30-23)26-19-6-4-18(5-7-19)15-29-11-9-28(3)10-12-29/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)
InChIKeyAWGSSPKZCZSGDL-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.78
Rot. Bonds5

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 134809359) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID134809359
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)c2c1CCO2
InChIInChI=1S/C24H29N5O2/c1-16-22(17(2)31-27-16)21-14-25-24(23-20(21)8-13-30-23)26-19-6-4-18(5-7-19)15-29-11-9-28(3)10-12-29/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)
InChIKeyAWGSSPKZCZSGDL-UHFFFAOYSA-N
XLogP3.78
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine with MolForge

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Related Compounds

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 25255712
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
CID 70648003
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 18439791
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 70810938
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526
3,5-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
CID 175584716
diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane
CID 58332300
2-methyl-2-[4-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propanenitrile
CID 66576870
ethyl 4-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947892
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 134809359) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine is Cc1noc(C)c1-c1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)c2c1CCO2.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is AWGSSPKZCZSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-22(17(2)31-27-16)21-14-25-24(23-20(21)8-13-30-23)26-19-6-4-18(5-7-19)15-29-11-9-28(3)10-12-29/h4-7,14H,8-13,15H2,1-3H3,(H,25,26).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 419.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134809359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).