3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one

C16H20N4O3 — CID 56708108

IUPAC3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one
SMILESCc1nc(CN(CCn2c(=O)oc3ccccc32)C(C)C)no1
InChIInChI=1S/C16H20N4O3/c1-11(2)19(10-15-17-12(3)23-18-15)8-9-20-13-6-4-5-7-14(13)22-16(20)21/h4-7,11H,8-10H2,1-3H3
InChIKeyHKBYJQXMGUKVTR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.20
Rot. Bonds6

About 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one

3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one (PubChem CID 56708108) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one
PubChem CID56708108
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one
SMILESCc1nc(CN(CCn2c(=O)oc3ccccc32)C(C)C)no1
InChIInChI=1S/C16H20N4O3/c1-11(2)19(10-15-17-12(3)23-18-15)8-9-20-13-6-4-5-7-14(13)22-16(20)21/h4-7,11H,8-10H2,1-3H3
InChIKeyHKBYJQXMGUKVTR-UHFFFAOYSA-N
XLogP2.20
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]ethyl]-1,3-benzoxazol-2-one
CID 56718916
3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 71934041
3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 46573434
2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 34209389
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
CID 114218084
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 42990131
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9228097
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl methanesulfonate
CID 19418949
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95802914
3-[2-(3-aminopyrazol-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 63316065

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one (CID 56708108) is 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one is Cc1nc(CN(CCn2c(=O)oc3ccccc32)C(C)C)no1.
What is the InChIKey of 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is HKBYJQXMGUKVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(2)19(10-15-17-12(3)23-18-15)8-9-20-13-6-4-5-7-14(13)22-16(20)21/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one?
3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 56708108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).