N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide

C16H21N5O4 — CID 91769243

IUPACN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1
InChIInChI=1S/C16H21N5O4/c22-9-12-1-3-13(4-2-12)25-15-10-24-8-6-14(15)18-16(23)5-7-21-11-17-19-20-21/h1-4,11,14-15,22H,5-10H2,(H,18,23)/t14-,15-/m1/s1
InChIKeyRSTHXYNUJSSDGS-HUUCEWRRSA-N
MW347.38 g/mol
LogP-0.09
Rot. Bonds7

About N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide

N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide (PubChem CID 91769243) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide
PubChem CID91769243
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1
InChIInChI=1S/C16H21N5O4/c22-9-12-1-3-13(4-2-12)25-15-10-24-8-6-14(15)18-16(23)5-7-21-11-17-19-20-21/h1-4,11,14-15,22H,5-10H2,(H,18,23)/t14-,15-/m1/s1
InChIKeyRSTHXYNUJSSDGS-HUUCEWRRSA-N
XLogP-0.09
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide
CID 91764139
4-[(3S,4R)-4-[3-(1,2,4-triazol-1-yl)propanoylamino]oxan-3-yl]oxybenzamide
CID 91781430
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]cycloheptanecarboxamide
CID 91771255
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 91761760
4-[(3S,4R)-4-(4,4,4-trifluorobutanoylamino)oxan-3-yl]oxybenzoic acid
CID 91779540
2-amino-N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-6-methylpyrimidine-4-carboxamide
CID 91829216
N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
CID 91767933
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide (CID 91769243) is N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1.
What is the InChIKey of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is RSTHXYNUJSSDGS-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21N5O4/c22-9-12-1-3-13(4-2-12)25-15-10-24-8-6-14(15)18-16(23)5-7-21-11-17-19-20-21/h1-4,11,14-15,22H,5-10H2,(H,18,23)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide?
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 347.38 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 91769243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).