N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide

C13H21N5O4 — CID 3430614

IUPACN-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC(CO)C(=O)NCCN1CCOCC1)c1cnc[nH]1
InChIInChI=1S/C13H21N5O4/c19-8-11(17-13(21)10-7-14-9-16-10)12(20)15-1-2-18-3-5-22-6-4-18/h7,9,11,19H,1-6,8H2,(H,14,16)(H,15,20)(H,17,21)
InChIKeyJZBZORMKYXCAAN-UHFFFAOYSA-N
MW311.34 g/mol
LogP-2.05
Rot. Bonds7

About N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide

N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 3430614) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID3430614
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC NameN-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC(CO)C(=O)NCCN1CCOCC1)c1cnc[nH]1
InChIInChI=1S/C13H21N5O4/c19-8-11(17-13(21)10-7-14-9-16-10)12(20)15-1-2-18-3-5-22-6-4-18/h7,9,11,19H,1-6,8H2,(H,14,16)(H,15,20)(H,17,21)
InChIKeyJZBZORMKYXCAAN-UHFFFAOYSA-N
XLogP-2.05
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 65940567
N-(sec-butyl)-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 53167789
N-[trans-1-isopropyl-4-methoxypyrrolidin-3-yl]-1H-imidazole-5-carboxamide
CID 91829273
N-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 91832655
(3S*,4S*)-1-(1H-imidazol-5-ylcarbonyl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 91834998
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide
CID 91837902
1-(1H-imidazol-5-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 91840087
N-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 91840667
N-(1-cyclopentylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 118767584
N-(1-cyclopentylpiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 118773701
3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide
CID 125439867
N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 164638992

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide (CID 3430614) is N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide is O=C(NC(CO)C(=O)NCCN1CCOCC1)c1cnc[nH]1.
What is the InChIKey of N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is JZBZORMKYXCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4/c19-8-11(17-13(21)10-7-14-9-16-10)12(20)15-1-2-18-3-5-22-6-4-18/h7,9,11,19H,1-6,8H2,(H,14,16)(H,15,20)(H,17,21).
What are the key properties of N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of -2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 3430614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).