N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide

C15H18N4O3 — CID 164637524

IUPACN-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1cnc[nH]1
InChIInChI=1S/C15H18N4O3/c20-15(13-7-16-10-18-13)19-12-4-6-21-9-14(12)22-8-11-3-1-2-5-17-11/h1-3,5,7,10,12,14H,4,6,8-9H2,(H,16,18)(H,19,20)/t12-,14-/m0/s1
InChIKeyTWRFICRXWGDANU-JSGCOSHPSA-N
MW302.33 g/mol
LogP0.91
Rot. Bonds5

About N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide

N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 164637524) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide
PubChem CID164637524
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1cnc[nH]1
InChIInChI=1S/C15H18N4O3/c20-15(13-7-16-10-18-13)19-12-4-6-21-9-14(12)22-8-11-3-1-2-5-17-11/h1-3,5,7,10,12,14H,4,6,8-9H2,(H,16,18)(H,19,20)/t12-,14-/m0/s1
InChIKeyTWRFICRXWGDANU-JSGCOSHPSA-N
XLogP0.91
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide (CID 164637524) is N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide is O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1cnc[nH]1.
What is the InChIKey of N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is TWRFICRXWGDANU-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-15(13-7-16-10-18-13)19-12-4-6-21-9-14(12)22-8-11-3-1-2-5-17-11/h1-3,5,7,10,12,14H,4,6,8-9H2,(H,16,18)(H,19,20)/t12-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide?
N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 164637524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).