N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide

C18H25N5O4 — CID 162625910

IUPACN-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide
SMILESCCCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)on1
InChIInChI=1S/C18H25N5O4/c1-2-3-12-7-13(27-23-12)8-20-17(25)11-4-5-14(16(24)6-11)22-18(26)15-9-19-10-21-15/h7,9-11,14,16,24H,2-6,8H2,1H3,(H,19,21)(H,20,25)(H,22,26)/t11-,14-,16-/m0/s1
InChIKeyDDBBIZSLOMWMJO-PJODQICGSA-N
MW375.43 g/mol
LogP0.93
Rot. Bonds7

About N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide (PubChem CID 162625910) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide
PubChem CID162625910
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide
SMILESCCCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)on1
InChIInChI=1S/C18H25N5O4/c1-2-3-12-7-13(27-23-12)8-20-17(25)11-4-5-14(16(24)6-11)22-18(26)15-9-19-10-21-15/h7,9-11,14,16,24H,2-6,8H2,1H3,(H,19,21)(H,20,25)(H,22,26)/t11-,14-,16-/m0/s1
InChIKeyDDBBIZSLOMWMJO-PJODQICGSA-N
XLogP0.93
TPSA133.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide (CID 162625910) is N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide is CCCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)on1.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide?
The InChIKey is DDBBIZSLOMWMJO-PJODQICGSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-2-3-12-7-13(27-23-12)8-20-17(25)11-4-5-14(16(24)6-11)22-18(26)15-9-19-10-21-15/h7,9-11,14,16,24H,2-6,8H2,1H3,(H,19,21)(H,20,25)(H,22,26)/t11-,14-,16-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 162625910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).