N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide

C19H30N4O4 — CID 54645457

IUPACN-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1
InChIInChI=1S/C19H30N4O4/c24-12-16-15(20-18(25)13-3-4-13)6-5-14(27-16)7-10-23-11-17(21-22-23)19(26)8-1-2-9-19/h11,13-16,24,26H,1-10,12H2,(H,20,25)/t14-,15-,16+/m1/s1
InChIKeyAKBNLSCHUNSEND-OAGGEKHMSA-N
MW378.47 g/mol
LogP0.86
Rot. Bonds7

About N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide

N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide (PubChem CID 54645457) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
PubChem CID54645457
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC NameN-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1
InChIInChI=1S/C19H30N4O4/c24-12-16-15(20-18(25)13-3-4-13)6-5-14(27-16)7-10-23-11-17(21-22-23)19(26)8-1-2-9-19/h11,13-16,24,26H,1-10,12H2,(H,20,25)/t14-,15-,16+/m1/s1
InChIKeyAKBNLSCHUNSEND-OAGGEKHMSA-N
XLogP0.86
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54645454
N-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54645455
2-fluoro-N-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzamide
CID 54641052
1-(4-fluorophenyl)-3-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]urea
CID 54643963
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645259
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645262
4-fluoro-N-[(2S,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide
CID 54643719
4-chloro-N-[(2S,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide
CID 54639397
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]cyclohexanecarboxamide
CID 54640799
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]oxane-4-carboxamide
CID 54643857
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]cyclohexanecarboxamide
CID 54644228
2-(dimethylamino)-N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]acetamide
CID 54644204

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide (CID 54645457) is N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide is O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CC1.
What is the InChIKey of N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
The InChIKey is AKBNLSCHUNSEND-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H30N4O4/c24-12-16-15(20-18(25)13-3-4-13)6-5-14(27-16)7-10-23-11-17(21-22-23)19(26)8-1-2-9-19/h11,13-16,24,26H,1-10,12H2,(H,20,25)/t14-,15-,16+/m1/s1.
What are the key properties of N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 54645457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).