N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide

C19H24N4O4 — CID 155918460

IUPACN-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](C(=O)NCc2cc(C3CC3)on2)CC[C@H]1O)c1ccc[nH]1
InChIInChI=1S/C19H24N4O4/c24-16-6-5-12(8-15(16)22-19(26)14-2-1-7-20-14)18(25)21-10-13-9-17(27-23-13)11-3-4-11/h1-2,7,9,11-12,15-16,20,24H,3-6,8,10H2,(H,21,25)(H,22,26)/t12-,15+,16+/m0/s1
InChIKeyTUEYVENLYHEDMR-APHBMKBZSA-N
MW372.43 g/mol
LogP1.46
Rot. Bonds6

About N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide

N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide (PubChem CID 155918460) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide
PubChem CID155918460
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](C(=O)NCc2cc(C3CC3)on2)CC[C@H]1O)c1ccc[nH]1
InChIInChI=1S/C19H24N4O4/c24-16-6-5-12(8-15(16)22-19(26)14-2-1-7-20-14)18(25)21-10-13-9-17(27-23-13)11-3-4-11/h1-2,7,9,11-12,15-16,20,24H,3-6,8,10H2,(H,21,25)(H,22,26)/t12-,15+,16+/m0/s1
InChIKeyTUEYVENLYHEDMR-APHBMKBZSA-N
XLogP1.46
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 133268370
(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide
CID 155914451
N-[[4-[[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide
CID 167847264
(3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279784
(3R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97144047
N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide
CID 162625910
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
formic acid;N-[(1R,2R,5S)-2-hydroxy-5-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]-4-methoxy-3-methylbenzamide
CID 155972571
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 121497375
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate
CID 122570211
N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide
CID 110480960

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide (CID 155918460) is N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide is O=C(N[C@@H]1C[C@@H](C(=O)NCc2cc(C3CC3)on2)CC[C@H]1O)c1ccc[nH]1.
What is the InChIKey of N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide?
The InChIKey is TUEYVENLYHEDMR-APHBMKBZSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-16-6-5-12(8-15(16)22-19(26)14-2-1-7-20-14)18(25)21-10-13-9-17(27-23-13)11-3-4-11/h1-2,7,9,11-12,15-16,20,24H,3-6,8,10H2,(H,21,25)(H,22,26)/t12-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide?
N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-5-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-2-hydroxycyclohexyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 155918460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).