1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea

C9H14N4O3 — CID 2743500

IUPAC1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea
SMILESCc1cc(C(=O)NNC(=O)NC(C)C)no1
InChIInChI=1S/C9H14N4O3/c1-5(2)10-9(15)12-11-8(14)7-4-6(3)16-13-7/h4-5H,1-3H3,(H,11,14)(H2,10,12,15)
InChIKeyNZXYULOZLDGIIG-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.34
Rot. Bonds2

About 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea

1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea (PubChem CID 2743500) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea
PubChem CID2743500
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea
SMILESCc1cc(C(=O)NNC(=O)NC(C)C)no1
InChIInChI=1S/C9H14N4O3/c1-5(2)10-9(15)12-11-8(14)7-4-6(3)16-13-7/h4-5H,1-3H3,(H,11,14)(H2,10,12,15)
InChIKeyNZXYULOZLDGIIG-UHFFFAOYSA-N
XLogP0.34
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea?
The IUPAC name of 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea (CID 2743500) is 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea?
The canonical SMILES for 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea is Cc1cc(C(=O)NNC(=O)NC(C)C)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea?
The InChIKey is NZXYULOZLDGIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5(2)10-9(15)12-11-8(14)7-4-6(3)16-13-7/h4-5H,1-3H3,(H,11,14)(H2,10,12,15).
What are the key properties of 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea?
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea has a molecular weight of 226.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-propan-2-ylurea is sourced from PubChem (CID 2743500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).