N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide

C16H19N3O4 — CID 166319225

IUPACN-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C1(O)CCN(C(=O)c2ccc3ocnc3c2)C1
InChIInChI=1S/C16H19N3O4/c1-10(18-11(2)20)16(22)5-6-19(8-16)15(21)12-3-4-14-13(7-12)17-9-23-14/h3-4,7,9-10,22H,5-6,8H2,1-2H3,(H,18,20)
InChIKeyVCPOLELQDQXXTB-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.93
Rot. Bonds3

About N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide

N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide (PubChem CID 166319225) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide
PubChem CID166319225
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C1(O)CCN(C(=O)c2ccc3ocnc3c2)C1
InChIInChI=1S/C16H19N3O4/c1-10(18-11(2)20)16(22)5-6-19(8-16)15(21)12-3-4-14-13(7-12)17-9-23-14/h3-4,7,9-10,22H,5-6,8H2,1-2H3,(H,18,20)
InChIKeyVCPOLELQDQXXTB-UHFFFAOYSA-N
XLogP0.93
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110399443
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(1,3-benzoxazol-5-yl)methanone
CID 110399436
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 110399432
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 110399395
4-(1,3-benzoxazole-6-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813679
1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110388164
2-(1,3-benzoxazole-5-carbonyl)-5-methyl-4H-pyrazol-3-one
CID 131868990
1-(1,3-benzoxazol-5-yl)propan-1-one
CID 119084710
N-tert-butyl-1,3-benzoxazole-5-carboxamide
CID 110388151
(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 139360995
1,3-benzoxazol-5-yl-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108811720
4-(1,3-benzoxazole-6-carbonyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813680

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide (CID 166319225) is N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide is CC(=O)NC(C)C1(O)CCN(C(=O)c2ccc3ocnc3c2)C1.
What is the InChIKey of N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide?
The InChIKey is VCPOLELQDQXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(18-11(2)20)16(22)5-6-19(8-16)15(21)12-3-4-14-13(7-12)17-9-23-14/h3-4,7,9-10,22H,5-6,8H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide?
N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1,3-benzoxazole-5-carbonyl)-3-hydroxypyrrolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 166319225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).