N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide

C19H21N3O3 — CID 146106824

IUPACN-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1noc2c1CCCC2
InChIInChI=1S/C19H21N3O3/c23-17(21-18-15-3-1-2-4-16(15)25-22-18)11-12-5-9-14(10-6-12)20-19(24)13-7-8-13/h5-6,9-10,13H,1-4,7-8,11H2,(H,20,24)(H,21,22,23)
InChIKeyABNVWDVEGYGIQF-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.08
Rot. Bonds5

About N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 146106824) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID146106824
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1noc2c1CCCC2
InChIInChI=1S/C19H21N3O3/c23-17(21-18-15-3-1-2-4-16(15)25-22-18)11-12-5-9-14(10-6-12)20-19(24)13-7-8-13/h5-6,9-10,13H,1-4,7-8,11H2,(H,20,24)(H,21,22,23)
InChIKeyABNVWDVEGYGIQF-UHFFFAOYSA-N
XLogP3.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431377
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111471182
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 146106824) is N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide is O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1noc2c1CCCC2.
What is the InChIKey of N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ABNVWDVEGYGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(21-18-15-3-1-2-4-16(15)25-22-18)11-12-5-9-14(10-6-12)20-19(24)13-7-8-13/h5-6,9-10,13H,1-4,7-8,11H2,(H,20,24)(H,21,22,23).
What are the key properties of N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 146106824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).