N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

C10H14N4O4 — CID 22101629

IUPACN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C10H14N4O4/c15-7(9-13-3-5-17-9)11-1-2-12-8(16)10-14-4-6-18-10/h1-6H2,(H,11,15)(H,12,16)
InChIKeyFXHOIGVJWBNQNI-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.92
Rot. Bonds5

About N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101629) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101629
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C10H14N4O4/c15-7(9-13-3-5-17-9)11-1-2-12-8(16)10-14-4-6-18-10/h1-6H2,(H,11,15)(H,12,16)
InChIKeyFXHOIGVJWBNQNI-UHFFFAOYSA-N
XLogP-1.92
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxa-7,10,13,16-tetraazacyclooctadecane-6,17-dione
CID 12342760
1-Oxa-4,7,10-triazacyclododecane-3,11-dione
CID 129830468
1,10-Dioxa-4,7,13,16-tetraazacyclooctadecane-3,6,14,17-tetrone
CID 582955
N-Ethyl-4,5-dihydrooxazole-2-carboxamide
CID 20523838
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101591
N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101603
N,N'-(Butane-1,4-diyl)di(4,5-dihydro-1,3-oxazole-2-carboxamide)
CID 22101605
4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101616
N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101622
3-[2-(2-Carbamoyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-4,5-dihydro-1,3-oxazol-3-ium-2-carboxamide
CID 57017575
1-Oxa-4,7,10,13-tetraazacyclopentadecane-3,14-dione
CID 12342757
1-Oxa-4,7,10,13,16-pentaazacyclooctadecane-3,17-dione
CID 12342758

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101629) is N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is O=C(NCCNC(=O)C1=NCCO1)C1=NCCO1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is FXHOIGVJWBNQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7(9-13-3-5-17-9)11-1-2-12-8(16)10-14-4-6-18-10/h1-6H2,(H,11,15)(H,12,16).
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 254.25 g/mol, XLogP of -1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).