ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane

C17H30N2O2 — CID 145236697

IUPACethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane
SMILESCC.CC.CCC.O=C(Nc1ccccc1)c1cocn1.[H][H]
InChIInChI=1S/C10H8N2O2.C3H8.2C2H6.H2/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8;1-3-2;2*1-2;/h1-7H,(H,12,13);3H2,1-2H3;2*1-2H3;1H
InChIKeyXXUDDXMMTZGUDE-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.64
Rot. Bonds2

About ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane

ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane (PubChem CID 145236697) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane
PubChem CID145236697
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane
SMILESCC.CC.CCC.O=C(Nc1ccccc1)c1cocn1.[H][H]
InChIInChI=1S/C10H8N2O2.C3H8.2C2H6.H2/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8;1-3-2;2*1-2;/h1-7H,(H,12,13);3H2,1-2H3;2*1-2H3;1H
InChIKeyXXUDDXMMTZGUDE-UHFFFAOYSA-N
XLogP5.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-1,3-oxazole-4-carboxamide
CID 22612942
N-(2,6-diethylphenyl)-1,3-oxazole-4-carboxamide
CID 110689557
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
N-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 141173163
N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 118471591
N-ethoxy-1,3-oxazole-4-carboxamide
CID 130637813
N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 141173121
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane?
The IUPAC name of ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane (CID 145236697) is ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane.
What is the SMILES notation for ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane?
The canonical SMILES for ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane is CC.CC.CCC.O=C(Nc1ccccc1)c1cocn1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane?
The InChIKey is XXUDDXMMTZGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.C3H8.2C2H6.H2/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8;1-3-2;2*1-2;/h1-7H,(H,12,13);3H2,1-2H3;2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane?
ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane has a molecular weight of 294.44 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane is sourced from PubChem (CID 145236697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).