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

C17H20N4O4 — CID 155871769

IUPACN-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cocn1
InChIInChI=1S/C17H20N4O4/c22-16(13-8-24-9-18-13)20-11-5-6-14-12(7-11)15(21-25-14)17(23)19-10-3-1-2-4-10/h8-11H,1-7H2,(H,19,23)(H,20,22)
InChIKeyDYRQCMTXQQFSQQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.62
Rot. Bonds4

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

N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 155871769) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID155871769
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cocn1
InChIInChI=1S/C17H20N4O4/c22-16(13-8-24-9-18-13)20-11-5-6-14-12(7-11)15(21-25-14)17(23)19-10-3-1-2-4-10/h8-11H,1-7H2,(H,19,23)(H,20,22)
InChIKeyDYRQCMTXQQFSQQ-UHFFFAOYSA-N
XLogP1.62
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871304
N-cyclopentyl-1,3-oxazole-4-carboxamide
CID 110689453
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871461
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
5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155872314
2-fluoro-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871322
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
CID 155871943
5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 135397627
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 155871562

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 155871769) is N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cocn1.
What is the InChIKey of N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is DYRQCMTXQQFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-16(13-8-24-9-18-13)20-11-5-6-14-12(7-11)15(21-25-14)17(23)19-10-3-1-2-4-10/h8-11H,1-7H2,(H,19,23)(H,20,22).
What are the key properties of N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155871769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).