N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide

C15H19N3O3 — CID 66265019

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide
SMILESCCc1nc2cc(NC(=O)C3COCC3NC)ccc2o1
InChIInChI=1S/C15H19N3O3/c1-3-14-18-11-6-9(4-5-13(11)21-14)17-15(19)10-7-20-8-12(10)16-2/h4-6,10,12,16H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyMNFUHLVCOSFJAY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.56
Rot. Bonds4

About N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265019) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265019
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide
SMILESCCc1nc2cc(NC(=O)C3COCC3NC)ccc2o1
InChIInChI=1S/C15H19N3O3/c1-3-14-18-11-6-9(4-5-13(11)21-14)17-15(19)10-7-20-8-12(10)16-2/h4-6,10,12,16H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyMNFUHLVCOSFJAY-UHFFFAOYSA-N
XLogP1.56
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide (CID 66265019) is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide is CCc1nc2cc(NC(=O)C3COCC3NC)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is MNFUHLVCOSFJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-14-18-11-6-9(4-5-13(11)21-14)17-15(19)10-7-20-8-12(10)16-2/h4-6,10,12,16H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).