(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone

C16H18N6O2 — CID 166613008

IUPAC(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone
SMILESCc1[nH]c(N)nc1C(=O)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C16H18N6O2/c1-10-13(20-15(17)18-10)14(23)21-6-8-22(9-7-21)16-19-11-4-2-3-5-12(11)24-16/h2-5H,6-9H2,1H3,(H3,17,18,20)
InChIKeyDWVBXAJXCCGAPP-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.40
Rot. Bonds2

About (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone

(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone (PubChem CID 166613008) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone
PubChem CID166613008
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone
SMILESCc1[nH]c(N)nc1C(=O)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C16H18N6O2/c1-10-13(20-15(17)18-10)14(23)21-6-8-22(9-7-21)16-19-11-4-2-3-5-12(11)24-16/h2-5H,6-9H2,1H3,(H3,17,18,20)
InChIKeyDWVBXAJXCCGAPP-UHFFFAOYSA-N
XLogP1.40
TPSA104.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 157012907
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081639
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138384993
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylpyrimidin-5-yl)methanone
CID 166471741
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90653842
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516
3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 138379830
4-amino-1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596631
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 157014503

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone (CID 166613008) is (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone is Cc1[nH]c(N)nc1C(=O)N1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is DWVBXAJXCCGAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-13(20-15(17)18-10)14(23)21-6-8-22(9-7-21)16-19-11-4-2-3-5-12(11)24-16/h2-5H,6-9H2,1H3,(H3,17,18,20).
What are the key properties of (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone?
(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166613008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).