1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine

C20H24N6O2 — CID 28957616

IUPAC1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCc1ccc(-c2ccn(Cc3c(C)noc3C)n2)o1
InChIInChI=1S/C20H24N6O2/c1-12-17(13(2)23-22-12)10-21-9-16-5-6-20(27-16)19-7-8-26(24-19)11-18-14(3)25-28-15(18)4/h5-8,21H,9-11H2,1-4H3,(H,22,23)
InChIKeyQBTVYFAOPQTPEP-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.43
Rot. Bonds7

About 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine

1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 28957616) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID28957616
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCc1ccc(-c2ccn(Cc3c(C)noc3C)n2)o1
InChIInChI=1S/C20H24N6O2/c1-12-17(13(2)23-22-12)10-21-9-16-5-6-20(27-16)19-7-8-26(24-19)11-18-14(3)25-28-15(18)4/h5-8,21H,9-11H2,1-4H3,(H,22,23)
InChIKeyQBTVYFAOPQTPEP-UHFFFAOYSA-N
XLogP3.43
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190066
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190191
4-[[5-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 35534418
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53536230
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-(2-methylpyrazol-3-yl)-2-propan-2-ylfuro[2,3-c]pyridine
CID 134807390
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(2-methylpyrazol-3-yl)furo[2,3-c]pyridine
CID 134809198
1-(3-ethyl-5-isoxazolyl)-N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 29085444
N-methyl-1-[3-(5-methyl-2-furyl)-1H-pyrazol-5-yl]-N-[(3-methyl-5-isoxazolyl)methyl]methanamine
CID 29215775
3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 31104144
3-[1-({5-[1-(3-fluoropropyl)-1H-pyrazol-3-yl]-2-furyl}methyl)-2-pyrrolidinyl]-4-methyl-1,2,5-oxadiazole
CID 45224954
3-propyl-5-({2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}methyl)isoxazole
CID 56900869
1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-1,2,3-triazole
CID 72926111

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine (CID 28957616) is 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1n[nH]c(C)c1CNCc1ccc(-c2ccn(Cc3c(C)noc3C)n2)o1.
What is the InChIKey of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is QBTVYFAOPQTPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-17(13(2)23-22-12)10-21-9-16-5-6-20(27-16)19-7-8-26(24-19)11-18-14(3)25-28-15(18)4/h5-8,21H,9-11H2,1-4H3,(H,22,23).
What are the key properties of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 380.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]furan-2-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 28957616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).