5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H18N4O4 — CID 155871304

IUPAC5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CC(NC(=O)c1cocn1)CC2
InChIInChI=1S/C15H18N4O4/c1-8(2)17-15(21)13-10-5-9(3-4-12(10)23-19-13)18-14(20)11-6-22-7-16-11/h6-9H,3-5H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyGUQCRUBIJOYICK-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.09
Rot. Bonds4

About 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 155871304) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID155871304
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CC(NC(=O)c1cocn1)CC2
InChIInChI=1S/C15H18N4O4/c1-8(2)17-15(21)13-10-5-9(3-4-12(10)23-19-13)18-14(20)11-6-22-7-16-11/h6-9H,3-5H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyGUQCRUBIJOYICK-UHFFFAOYSA-N
XLogP1.09
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871769
5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871461
5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155872314
5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871324
N-cyclopentyl-1,3-oxazole-4-carboxamide
CID 110689453
formic acid;5-(2-phenylethylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155878205
5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155876703
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
CID 155871943
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871127
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
2-fluoro-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871322
5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 135397627

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 155871304) is 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)NC(=O)c1noc2c1CC(NC(=O)c1cocn1)CC2.
What is the InChIKey of 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is GUQCRUBIJOYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8(2)17-15(21)13-10-5-9(3-4-12(10)23-19-13)18-14(20)11-6-22-7-16-11/h6-9H,3-5H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155871304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).